N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide

C24H23FN2O2S — CID 51583370

IUPACN-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16(28)26-21(17-7-9-19(25)10-8-17)15-23(29)27-13-11-22-20(12-14-30-22)24(27)18-5-3-2-4-6-18/h2-10,12,14,21,24H,11,13,15H2,1H3,(H,26,28)/t21-,24-/m1/s1
InChIKeyBCUWZSGMVMRNGF-ZJSXRUAMSA-N
MW422.53 g/mol
LogP4.63
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide

N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide (PubChem CID 51583370) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
PubChem CID51583370
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16(28)26-21(17-7-9-19(25)10-8-17)15-23(29)27-13-11-22-20(12-14-30-22)24(27)18-5-3-2-4-6-18/h2-10,12,14,21,24H,11,13,15H2,1H3,(H,26,28)/t21-,24-/m1/s1
InChIKeyBCUWZSGMVMRNGF-ZJSXRUAMSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-oxo-1-phenyl-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 9074692
N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
CID 8949047
1-[(4S)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7409512
N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 46957784
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one
CID 7226296
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091
N-butan-2-yl-2-(4-fluorophenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 4317536

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide (CID 51583370) is N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?
The InChIKey is BCUWZSGMVMRNGF-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-16(28)26-21(17-7-9-19(25)10-8-17)15-23(29)27-13-11-22-20(12-14-30-22)24(27)18-5-3-2-4-6-18/h2-10,12,14,21,24H,11,13,15H2,1H3,(H,26,28)/t21-,24-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide?
N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide is sourced from PubChem (CID 51583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).